N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine

C17H19NO2 — CID 63379077

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1CC1c1ccc(CNC2COc3ccccc32)o1
InChIInChI=1S/C17H19NO2/c1-11-8-14(11)17-7-6-12(20-17)9-18-15-10-19-16-5-3-2-4-13(15)16/h2-7,11,14-15,18H,8-10H2,1H3
InChIKeyYNCOSWVPXLTNBB-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.63
Rot. Bonds4

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63379077) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63379077
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1CC1c1ccc(CNC2COc3ccccc32)o1
InChIInChI=1S/C17H19NO2/c1-11-8-14(11)17-7-6-12(20-17)9-18-15-10-19-16-5-3-2-4-13(15)16/h2-7,11,14-15,18H,8-10H2,1H3
InChIKeyYNCOSWVPXLTNBB-UHFFFAOYSA-N
XLogP3.63
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 63379077) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine is CC1CC1c1ccc(CNC2COc3ccccc32)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YNCOSWVPXLTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-8-14(11)17-7-6-12(20-17)9-18-15-10-19-16-5-3-2-4-13(15)16/h2-7,11,14-15,18H,8-10H2,1H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 269.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63379077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).